N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide

C14H10ClN3O — CID 102979689

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
SMILESCc1cnc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C14H10ClN3O/c1-9-6-12(13(15)17-8-9)18-14(19)11-4-2-10(7-16)3-5-11/h2-6,8H,1H3,(H,18,19)
InChIKeyRGHPXYMDIUGQMY-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.17
Rot. Bonds2

About N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide

N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide (PubChem CID 102979689) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
PubChem CID102979689
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
SMILESCc1cnc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C14H10ClN3O/c1-9-6-12(13(15)17-8-9)18-14(19)11-4-2-10(7-16)3-5-11/h2-6,8H,1H3,(H,18,19)
InChIKeyRGHPXYMDIUGQMY-UHFFFAOYSA-N
XLogP3.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide
CID 102979859
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
4-cyano-N-(2-iodo-4-methylphenyl)benzamide
CID 53308928
4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide
CID 89406457
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678
N-(2-chloro-5-methyl-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 102979705
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide (CID 102979689) is N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide is Cc1cnc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide?
The InChIKey is RGHPXYMDIUGQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-9-6-12(13(15)17-8-9)18-14(19)11-4-2-10(7-16)3-5-11/h2-6,8H,1H3,(H,18,19).
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide?
N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide has a molecular weight of 271.71 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide is sourced from PubChem (CID 102979689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).